![3-Ethyl-2-[5-(3-ethyl-7-methyl-1,3-benzothiazol-2(3H)-ylidene)penta-1,3-dien-1-yl]-7-methyl-1,3-benzothiazol-3-ium iodide structure](/static/products/1025/10258-80-7.webp)
3-Ethyl-2-[5-(3-ethyl-7-methyl-1,3-benzothiazol-2(3H)-ylidene)penta-1,3-dien-1-yl]-7-methyl-1,3-benzothiazol-3-ium iodide
TL;DR: 3-Ethyl-2-[5-(3-ethyl-7-methyl-1,3-benzothiazol-2(3H)-ylidene)penta-1,3-dien-1-yl]-7-methyl-1,3-benzothiazol-3-ium iodide (CAS 10258-80-7) is a chemical compound with molecular formula C25H27IN2S2 and molecular weight 546.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-2-[5-(3-ethyl-7-methyl-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-7-methyl-1,3-benzothiazole iodide
Also Known As: 3-Ethyl-2-[5-(3-ethyl-7-methyl-1,3-benzothiazol-2(3H)-ylidene)penta-1,3-dien-1-yl]-7-methyl-1,3-benzothiazol-3-ium iodide
| Molecular Formula | C25H27IN2S2 |
|---|---|
| Molecular Weight | 546.07 g/mol |
| LogP | 3.87 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 546.06604 |
| Heavy Atoms | 30 |
| Complexity | 590.0 |
Chemical Identifiers
| CAS Number | 10258-80-7 |
|---|---|
| SMILES | CCN1C2=CC=CC(=C2SC1=CC=CC=CC3=[N+](C4=CC=CC(=C4S3)C)CC)C.[I-] |
| InChIKey | OHZXHINQSWUTCN-UHFFFAOYSA-M |
Product Overview
3-Ethyl-2-[5-(3-ethyl-7-methyl-1,3-benzothiazol-2(3H)-ylidene)penta-1,3-dien-1-yl]-7-methyl-1,3-benzothiazol-3-ium iodide (CAS 10258-80-7), with molecular formula C25H27IN2S2 and molecular weight 546.07 g/mol. IUPAC: 3-ethyl-2-[5-(3-ethyl-7-methyl-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-7-methyl-1,3-benzothiazole iodide.
Chemical Property Profile of 3-Ethyl-2-[5-(3-ethyl-7-methyl-1,3-benzothiazol-2(3H)-ylidene)penta-1,3-dien-1-yl]-7-methyl-1,3-benzothiazol-3-ium iodide
Property Insights of 3-Ethyl-2-[5-(3-ethyl-7-methyl-1,3-benzothiazol-2(3H)-ylidene)penta-1,3-dien-1-yl]-7-methyl-1,3-benzothiazol-3-ium iodide
The XLogP value of 3.87 indicates that 3-Ethyl-2-[5-(3-ethyl-7-methyl-1,3-benzothiazol-2(3H)-ylidene)penta-1,3-dien-1-yl]-7-methyl-1,3-benzothiazol-3-ium iodide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Ethyl-2-[5-(3-ethyl-7-methyl-1,3-benzothiazol-2(3H)-ylidene)penta-1,3-dien-1-yl]-7-methyl-1,3-benzothiazol-3-ium iodide. Following Lipinski's Rule of Five, 3-Ethyl-2-[5-(3-ethyl-7-methyl-1,3-benzothiazol-2(3H)-ylidene)penta-1,3-dien-1-yl]-7-methyl-1,3-benzothiazol-3-ium iodide has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Ethyl-2-[5-(3-ethyl-7-methyl-1,3-benzothiazol-2(3H)-ylidene)penta-1,3-dien-1-yl]-7-methyl-1,3-benzothiazol-3-ium iodide?
The CAS number of 3-Ethyl-2-[5-(3-ethyl-7-methyl-1,3-benzothiazol-2(3H)-ylidene)penta-1,3-dien-1-yl]-7-methyl-1,3-benzothiazol-3-ium iodide is 10258-80-7.
What is the molecular formula of 3-Ethyl-2-[5-(3-ethyl-7-methyl-1,3-benzothiazol-2(3H)-ylidene)penta-1,3-dien-1-yl]-7-methyl-1,3-benzothiazol-3-ium iodide?
The molecular formula of 3-Ethyl-2-[5-(3-ethyl-7-methyl-1,3-benzothiazol-2(3H)-ylidene)penta-1,3-dien-1-yl]-7-methyl-1,3-benzothiazol-3-ium iodide is C25H27IN2S2.
What is the molecular weight of 3-Ethyl-2-[5-(3-ethyl-7-methyl-1,3-benzothiazol-2(3H)-ylidene)penta-1,3-dien-1-yl]-7-methyl-1,3-benzothiazol-3-ium iodide?
The molecular weight of 3-Ethyl-2-[5-(3-ethyl-7-methyl-1,3-benzothiazol-2(3H)-ylidene)penta-1,3-dien-1-yl]-7-methyl-1,3-benzothiazol-3-ium iodide is 546.07 g/mol.
Where can I buy 3-Ethyl-2-[5-(3-ethyl-7-methyl-1,3-benzothiazol-2(3H)-ylidene)penta-1,3-dien-1-yl]-7-methyl-1,3-benzothiazol-3-ium iodide?
You can request a quote for 3-Ethyl-2-[5-(3-ethyl-7-methyl-1,3-benzothiazol-2(3H)-ylidene)penta-1,3-dien-1-yl]-7-methyl-1,3-benzothiazol-3-ium iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethyl-2-[5-(3-ethyl-7-methyl-1,3-benzothiazol-2(3H)-ylidene)penta-1,3-dien-1-yl]-7-methyl-1,3-benzothiazol-3-ium iodide?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethyl-2-[5-(3-ethyl-7-methyl-1,3-benzothiazol-2(3H)-ylidene)penta-1,3-dien-1-yl]-7-methyl-1,3-benzothiazol-3-ium iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.